GRADE & PURITY ≥98%(HPLC)

Synonyms

AS-66972 | 2,2-Bis(3-cyclohexyl-4-hydroxyphenyl)propane | 2-CYCLOHEXYL-4-[2-(3-CYCLOHEXYL-4-HYDROXYPHENYL)PROPAN-2-YL]PHENOL | D88959 | 2,2-Bis(4-hydroxy-3-cyclohexylphenyl)propane | 4,4'-Isopropylidenebis(2-cyclohexylphenol) | AKOS015840744 | SCHEMBL6818

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-66972 | 2, 2-Bis(3-cyclohexyl-4-hydroxyphenyl)propane | 2-CYCLOHEXYL-4-[2-(3-CYCLOHEXYL-4-HYDROXYPHENYL)PROPAN-2-YL]PHENOL | D88959 | 2, 2-Bis(4-hydroxy-3-cyclohexylphenyl)propane | 4, 4'-Isopropylidenebis(2-cyclohexylphenol) | AKOS015840744 | SCHEMBL6818

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488196948
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196948
• Sonrisas canónicas: CC(C)(C1=CC(=C(C=C1)O)C2CCCCC2)C3=CC(=C(C=C3)O)C4CCCCC4
• IUPAC Name: 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propan-2-yl]phenol
• InChIKey: WKVWOPDUENJKAR-UHFFFAOYSA-N
• INCHI: 1S/C27H36O2/c1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20/h13-20,28-29H,3-12H2,1-2H3
• Isómeros SMILES: CC(C)(C1=CC(=C(C=C1)O)C2CCCCC2)C3=CC(=C(C=C3)O)C4CCCCC4
• Peso molecular: 392.58
• Beilstein: 6(4)6937
• Reaxy-Rn: 3456594
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3456594&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphenols
• Alternative Parents: Cyclohexylphenols Phenylpropanes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bisphenol - Cyclohexylphenol - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bisphenols. These are organic compounds containing two hydroxyphenyl group based on a diphenylmethane backbone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Peso molecular: 392.600 g/mol
• XLogP3: 9.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 392.272 Da
• Monoisotopic Mass: 392.272 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 459.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1